SCHEMBL10948293

SCHEMBL10948293

COc1ccc(/C=C/CO)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
RECQL P46063 1/20 0.47
MMP9 P14780 1/20 0.46
TUBB1 Q9H4B7 8/20 0.46
TUBB4A P04350 4/20 0.44
TUBB P07437 4/20 0.44
TUBA3C P0DPH7 4/20 0.44
TUBA1B P68363 4/20 0.44
TUBA4A P68366 4/20 0.44
TUBB4B P68371 4/20 0.44
TUBB3 Q13509 4/20 0.44
TUBB2A Q13885 4/20 0.44
TUBB8 Q3ZCM7 4/20 0.44
TUBA3E Q6PEY2 4/20 0.44
TUBA1A Q71U36 4/20 0.44
TUBA1C Q9BQE3 4/20 0.44
TUBB6 Q9BUF5 4/20 0.44
TUBB2B Q9BVA1 4/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10948298 1.00 PTGS1 (0.49) PTGS1ALDH1A1CYP3A4RECQLMMP9
SCHEMBL30625282 0.84 CYP1A1 (0.61) PTGS1ALDH1A1MMP9TUBB1TUBB4A
SCHEMBL2458079 0.84 CYP1A1 (0.61) PTGS1ALDH1A1MMP9TUBB1TUBB4A
SCHEMBL1301186 0.84 CYP1A1 (0.61) PTGS1ALDH1A1MMP9TUBB1TUBB4A
SCHEMBL1301189 0.84 CYP1A1 (0.61) PTGS1ALDH1A1MMP9TUBB1TUBB4A
SCHEMBL2096632 0.83 KMT2A (0.48) PTGS1ALDH1A1TUBB1TUBB4ATUBB
SCHEMBL2096631 0.83 KMT2A (0.48) PTGS1ALDH1A1TUBB1TUBB4ATUBB
SCHEMBL2094465 0.82 KMT2A (0.44) ALDH1A1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL2095648 0.81 KMT2A (0.40) PTGS1TUBB1TUBB4ATUBBTUBA3C
SCHEMBL2095650 0.81 KMT2A (0.40) PTGS1TUBB1TUBB4ATUBBTUBA3C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556409-A CONTROLLING SOYBEAN GROWTH EMERY INDUSTRIES INC. (US) 1985-12-03 US disclosed
US-4522749-A Process for augmenting or enhancing the aroma of a fragrance by adding a vinylcyclopropane compound NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1985-06-11 US disclosed
US-4418202-A HERBICIDES, PESTICIDES EMERY INDUSTRIES, INC. (US) 1983-11-29 US disclosed
US-4380656-A PESTICIDES, HERBICIDES EMERY INDUSTRIES, INC. (US) 1983-04-19 US disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed